#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wz0 s SER 2 N 0.00 -0.14 0.21 1.61 1.04 -1.26 -5.19 113.70 109.97 1wz0 s SER 2 Ca 0.00 -0.01 -0.17 0.00 0.48 0.00 0.00 55.95 56.25 1wz0 s SER 2 Cb 0.00 0.15 0.02 0.00 0.10 0.00 0.00 66.02 66.29 1wz0 s SER 2 CO 0.00 -0.25 0.53 -0.44 0.98 0.00 0.00 173.24 174.07 1wz0 s SER 3 N -2.23 -0.23 0.02 7.02 0.01 -1.26 -5.19 113.70 111.85 1wz0 s SER 3 Ca 0.09 -0.56 -0.00 0.00 1.31 0.00 0.00 55.95 56.79 1wz0 s SER 3 Cb -0.01 0.59 0.00 0.00 0.21 0.00 0.00 66.02 66.82 1wz0 s SER 3 CO -0.05 -1.09 0.03 0.61 0.41 0.00 0.00 173.24 173.15 1wz0 n GLY 4 N -0.36 2.92 3.17 3.44 0.00 -1.26 -5.19 105.19 107.91 1wz0 n GLY 4 Ca -0.08 -1.34 -0.11 0.00 0.00 0.00 0.00 46.02 44.49 1wz0 n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1wz0 s SER 5 N -1.13 0.49 0.20 1.61 0.15 -1.26 -5.18 113.70 108.58 1wz0 s SER 5 Ca 0.02 -1.21 0.02 0.00 0.70 0.00 0.00 55.95 55.48 1wz0 s SER 5 Cb -0.00 0.26 -0.05 0.00 -1.71 0.00 0.00 66.02 64.52 1wz0 s SER 5 CO 0.01 -0.70 0.00 -0.44 1.20 0.00 0.00 173.24 173.31 1wz0 s SER 6 N -3.08 1.43 -0.28 5.45 0.01 -1.26 -5.17 113.70 110.80 1wz0 s SER 6 Ca 0.25 -1.20 -0.25 0.00 1.31 0.00 0.00 55.95 56.06 1wz0 s SER 6 Cb 0.07 0.08 0.11 0.00 0.21 0.00 0.00 66.02 66.50 1wz0 s SER 6 CO 0.03 -0.56 0.99 -0.83 0.41 0.00 0.00 173.24 173.28 1wz0 s GLY 7 N -3.23 -0.21 -0.01 3.44 0.00 -1.26 -5.17 107.32 100.89 1wz0 s GLY 7 Ca 0.26 2.58 0.01 0.00 0.00 0.00 0.00 44.72 47.57 1wz0 s GLY 7 CO 0.06 1.82 -0.02 1.06 0.00 0.00 0.00 173.10 176.02 1wz0 s MET 8 N 0.24 0.27 0.09 2.90 1.00 -1.26 -5.16 119.30 117.39 1wz0 s MET 8 Ca 0.03 -0.06 0.05 0.00 0.00 0.00 0.00 55.69 55.71 1wz0 s MET 8 Cb -0.05 -0.31 -0.03 0.00 0.00 0.00 0.00 34.83 34.43 1wz0 s MET 8 CO -0.05 0.01 -0.13 0.00 0.00 0.00 0.00 175.02 174.85 1wz0 s ALA 9 N 0.24 1.25 -0.43 3.03 0.00 -1.26 -5.12 121.76 119.47 1wz0 s ALA 9 Ca -0.02 -1.14 -0.06 0.00 0.00 0.00 0.00 51.96 50.73 1wz0 s ALA 9 Cb -0.05 -0.05 0.11 0.00 0.00 0.00 0.00 23.12 23.12 1wz0 s ALA 9 CO -0.01 0.09 0.26 0.34 0.00 0.00 0.00 175.76 176.44 1wz0 s ASP 10 N -2.16 5.47 -0.33 0.00 2.15 -1.26 -4.92 116.67 115.62 1wz0 s ASP 10 Ca 0.03 -1.88 0.14 0.00 0.43 0.00 0.00 52.55 51.28 1wz0 s ASP 10 Cb -0.06 -1.92 0.46 0.00 -0.30 0.00 0.00 42.92 41.10 1wz0 s ASP 10 CO 0.02 -0.59 1.07 -0.62 -0.17 0.00 0.00 175.17 174.87 1wz0 n GLU 11 N 4.77 2.25 -3.61 4.34 1.02 -1.26 -4.96 120.64 123.18 1wz0 n GLU 11 Ca -0.06 -3.77 -0.21 0.00 -0.02 0.00 0.00 57.16 53.10 1wz0 n GLU 11 Cb 0.41 -1.75 0.05 0.00 -0.02 0.00 0.00 31.44 30.13 1wz0 n GLU 11 CO 0.00 0.00 0.00 1.17 1.18 0.00 0.00 177.13 179.48 1wz0 n LYS 12 N -0.39 -4.48 0.00 3.49 3.00 -1.26 -4.84 118.16 113.68 1wz0 n LYS 12 Ca 0.22 0.66 0.08 0.00 -0.00 0.00 0.00 58.31 59.27 1wz0 n LYS 12 Cb 0.80 -5.23 0.46 0.00 0.00 0.00 0.00 35.03 31.06 1wz0 n LYS 12 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.40 177.05 1wz0 n PRO 13 N -4.13 0.49 -0.03 1.64 -0.04 -1.26 -3.09 135.00 128.58 1wz0 n PRO 13 Ca -0.25 0.00 -0.14 0.00 -0.04 0.00 0.00 63.50 63.06 1wz0 n PRO 13 Cb 0.66 -1.50 -0.10 0.00 -0.04 0.00 0.00 33.50 32.53 1wz0 n PRO 13 CO 0.00 0.00 0.00 0.87 -0.04 0.00 0.00 175.50 176.33 1wz0 h LYS 14 N 0.00 0.18 0.01 0.54 1.79 -2.03 -3.36 116.57 113.70 1wz0 h LYS 14 Ca 0.00 -0.15 -0.00 0.00 -2.18 0.00 0.00 60.65 58.32 1wz0 h LYS 14 Cb 0.00 0.03 -0.00 0.00 -1.58 0.00 0.00 32.23 30.68 1wz0 h LYS 14 CO 0.00 0.79 -0.01 1.49 -1.08 0.00 0.00 179.45 180.64 1wz0 h GLU 15 N -0.39 -0.02 0.00 3.15 4.81 -1.93 -3.47 114.58 116.73 1wz0 h GLU 15 Ca -0.01 0.00 0.18 0.00 -0.13 0.00 0.00 59.36 59.40 1wz0 h GLU 15 Cb 0.82 0.00 -0.04 0.00 0.63 0.00 0.00 28.75 30.16 1wz0 h GLU 15 CO 0.04 -0.01 -0.24 0.41 -0.73 0.00 0.00 179.01 178.48 1wz0 n GLY 16 N -1.01 -0.88 3.22 1.92 0.00 -1.26 -4.87 105.19 102.31 1wz0 n GLY 16 Ca -0.00 -0.55 -0.25 0.00 0.00 0.00 0.00 46.02 45.22 1wz0 n GLY 16 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1wz0 s VAL 17 N -1.48 1.55 -0.73 1.61 1.01 -1.26 -5.06 120.40 116.03 1wz0 s VAL 17 Ca 0.00 -1.02 0.03 0.00 0.00 0.00 0.00 61.98 60.99 1wz0 s VAL 17 Cb 0.00 -1.32 0.33 0.00 0.00 0.00 0.00 36.38 35.39 1wz0 s VAL 17 CO 0.00 0.28 1.23 1.17 0.00 0.00 0.00 175.10 177.78 1wz0 n LYS 18 N 2.17 3.96 -3.79 2.72 0.00 -1.26 -4.89 118.16 117.07 1wz0 n LYS 18 Ca -0.16 -4.80 -0.26 0.00 0.00 0.00 0.00 58.31 53.09 1wz0 n LYS 18 Cb 0.53 -2.32 -0.07 0.00 0.00 0.00 0.00 35.03 33.18 1wz0 n LYS 18 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.40 179.81 1wz0 n THR 19 N -0.16 -0.48 -1.53 3.15 -1.04 -1.26 -4.70 114.28 108.26 1wz0 n THR 19 Ca 0.36 -0.24 -0.51 0.00 -2.04 0.00 0.00 64.05 61.63 1wz0 n THR 19 Cb 0.35 -0.60 -0.05 0.00 -1.82 0.00 0.00 70.33 68.21 1wz0 n THR 19 CO 0.00 0.00 0.00 -0.62 -0.64 0.00 0.00 175.07 173.81 1wz0 n GLU 20 N -3.43 0.75 -4.33 -2.82 1.02 -1.26 -4.97 120.64 105.60 1wz0 n GLU 20 Ca -0.13 0.27 -0.26 0.00 -0.02 0.00 0.00 57.16 57.02 1wz0 n GLU 20 Cb 0.45 -1.68 -0.09 0.00 -0.02 0.00 0.00 31.44 30.10 1wz0 n GLU 20 CO 0.00 0.00 0.00 -0.80 1.18 0.00 0.00 177.13 177.51 1wz0 s ASN 21 N -0.18 4.20 -0.12 1.62 0.01 -1.26 -5.07 114.94 114.14 1wz0 s ASN 21 Ca 0.75 -1.18 -0.11 0.00 -0.71 0.00 0.00 52.86 51.61 1wz0 s ASN 21 Cb -0.94 -0.45 -0.26 0.00 0.41 0.00 0.00 41.25 40.00 1wz0 s ASN 21 CO 0.54 -0.48 0.43 0.78 -1.51 0.00 0.00 177.10 176.86 1wz0 h ASN 22 N 1.59 0.39 -0.74 -1.22 2.35 -2.03 -3.37 115.58 112.55 1wz0 h ASN 22 Ca -0.43 -0.88 0.14 0.00 -0.55 0.00 0.00 56.30 54.58 1wz0 h ASN 22 Cb 1.25 -0.13 -0.14 0.00 0.05 0.00 0.00 38.32 39.35 1wz0 h ASN 22 CO 0.74 1.76 -0.20 -0.67 -1.65 0.00 0.00 177.43 177.41 1wz0 n ASP 23 N -3.70 -0.29 -4.36 5.81 2.03 -1.26 -4.43 116.55 110.35 1wz0 n ASP 23 Ca -0.30 1.28 -0.32 0.00 0.52 0.00 0.00 54.79 55.97 1wz0 n ASP 23 Cb 0.98 -0.38 0.17 0.00 -0.72 0.00 0.00 41.12 41.17 1wz0 n ASP 23 CO 0.00 0.00 0.00 1.41 -1.92 0.00 0.00 177.20 176.69 1wz0 n HIS 24 N -5.20 -1.31 -4.38 -0.67 8.25 -1.26 -4.79 115.22 105.85 1wz0 n HIS 24 Ca 0.11 0.14 -0.20 0.00 -0.26 0.00 0.00 57.72 57.52 1wz0 n HIS 24 Cb 0.36 -1.67 -0.14 0.00 1.12 0.00 0.00 29.99 29.67 1wz0 n HIS 24 CO 0.00 0.00 0.00 0.96 0.64 0.00 0.00 176.34 177.94 1wz0 s ILE 25 N -2.32 1.07 -0.16 1.59 -4.36 -0.56 -4.98 121.20 111.48 1wz0 s ILE 25 Ca 0.58 -0.91 -0.03 0.00 -0.26 0.00 0.00 60.65 60.03 1wz0 s ILE 25 Cb -0.17 -0.96 -0.02 0.00 1.25 0.00 0.00 42.46 42.56 1wz0 s ILE 25 CO 0.66 0.05 -0.06 0.20 0.24 0.00 0.00 174.94 176.03 1wz0 s ASN 26 N -0.99 4.50 -0.10 4.36 0.01 -1.26 -2.61 114.94 118.86 1wz0 s ASN 26 Ca 0.02 -0.23 0.02 0.00 -0.71 0.00 0.00 52.86 51.96 1wz0 s ASN 26 Cb -0.07 -1.73 -0.01 0.00 0.41 0.00 0.00 41.25 39.84 1wz0 s ASN 26 CO 0.01 0.14 -0.17 -0.76 -1.51 0.00 0.00 177.10 174.80 1wz0 s LEU 27 N 0.55 2.52 -0.39 0.60 1.43 -1.06 -2.48 118.68 119.86 1wz0 s LEU 27 Ca -0.04 -0.36 -0.21 0.00 -1.03 0.00 0.00 54.13 52.49 1wz0 s LEU 27 Cb -0.15 -1.53 0.01 0.00 0.03 0.00 0.00 46.19 44.55 1wz0 s LEU 27 CO 0.03 0.22 0.65 -0.54 0.23 0.00 0.00 176.35 176.94 1wz0 s LYS 28 N 0.03 3.55 -0.31 1.70 1.02 0.52 -2.56 119.74 123.68 1wz0 s LYS 28 Ca -0.06 -0.08 -0.21 0.00 0.02 0.00 0.00 55.97 55.65 1wz0 s LYS 28 Cb -0.15 -3.86 -0.01 0.00 -0.52 0.00 0.00 37.83 33.30 1wz0 s LYS 28 CO 0.05 -0.84 0.65 0.08 -0.92 0.00 0.00 175.35 174.36 1wz0 s VAL 29 N 2.79 4.91 -0.25 3.17 1.01 0.11 0.71 120.40 132.85 1wz0 s VAL 29 Ca 0.24 0.87 -0.10 0.00 0.00 0.00 0.00 61.98 62.99 1wz0 s VAL 29 Cb -0.14 -4.03 -0.05 0.00 0.00 0.00 0.00 36.38 32.17 1wz0 s VAL 29 CO 0.17 -0.17 0.15 0.00 0.00 0.00 0.00 175.10 175.25 1wz0 s ALA 30 N 2.66 3.51 -0.00 5.51 0.00 -0.58 -0.80 121.76 132.06 1wz0 s ALA 30 Ca 0.26 -0.98 -0.00 0.00 0.00 0.00 0.00 51.96 51.24 1wz0 s ALA 30 Cb -0.15 -2.31 -0.04 0.00 0.00 0.00 0.00 23.12 20.62 1wz0 s ALA 30 CO 0.12 -0.32 0.07 0.20 0.00 0.00 0.00 175.76 175.83 1wz0 s GLY 31 N 1.31 1.99 0.48 0.00 0.00 0.79 -3.00 107.32 108.89 1wz0 s GLY 31 Ca 0.07 -0.88 0.32 0.00 0.00 0.00 0.00 44.72 44.22 1wz0 s GLY 31 CO 0.06 -0.76 1.73 0.06 0.00 0.00 0.00 173.10 174.19 1wz0 h GLN 32 N 4.14 0.12 -1.97 2.90 -0.00 -1.88 -0.01 115.11 118.41 1wz0 h GLN 32 Ca -0.49 -0.01 -0.37 0.00 -0.00 0.00 0.00 58.65 57.78 1wz0 h GLN 32 Cb 1.18 -0.03 -0.13 0.00 -0.00 0.00 0.00 27.48 28.50 1wz0 h GLN 32 CO 0.61 0.08 0.12 -0.25 -0.00 0.00 0.00 178.83 179.39 1wz0 n ASP 33 N -4.38 6.02 -3.87 0.06 8.00 -1.26 -4.80 116.55 116.32 1wz0 n ASP 33 Ca 0.30 -2.93 -0.25 0.00 0.71 0.00 0.00 54.79 52.62 1wz0 n ASP 33 Cb 1.28 -1.28 -0.06 0.00 -0.02 0.00 0.00 41.12 41.04 1wz0 n ASP 33 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1wz0 n GLY 34 N 1.40 -0.19 3.15 0.44 0.00 -0.03 -4.89 105.19 105.06 1wz0 n GLY 34 Ca 0.44 0.15 -0.33 0.00 0.00 0.00 0.00 46.02 46.28 1wz0 n GLY 34 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1wz0 s SER 35 N -4.00 3.27 -0.25 1.61 0.15 -1.11 -4.94 113.70 108.43 1wz0 s SER 35 Ca 0.07 -0.61 -0.06 0.00 0.70 0.00 0.00 55.95 56.04 1wz0 s SER 35 Cb -0.04 -1.51 -0.02 0.00 -1.71 0.00 0.00 66.02 62.74 1wz0 s SER 35 CO 0.73 0.01 0.05 -0.69 1.20 0.00 0.00 173.24 174.54 1wz0 s VAL 36 N 1.26 4.07 -0.11 4.45 1.01 -1.25 -0.15 120.40 129.67 1wz0 s VAL 36 Ca 0.04 -0.29 0.00 0.00 0.00 0.00 0.00 61.98 61.73 1wz0 s VAL 36 Cb -0.13 -2.91 0.02 0.00 0.00 0.00 0.00 36.38 33.36 1wz0 s VAL 36 CO -0.11 0.34 -0.10 -0.69 0.00 0.00 0.00 175.10 174.54 1wz0 s VAL 37 N 1.57 1.18 0.45 2.92 1.01 0.02 -4.93 120.40 122.62 1wz0 s VAL 37 Ca 0.06 -0.42 -0.01 0.00 0.00 0.00 0.00 61.98 61.62 1wz0 s VAL 37 Cb -0.15 -1.14 -0.01 0.00 0.00 0.00 0.00 36.38 35.08 1wz0 s VAL 37 CO 0.02 0.39 0.68 -1.10 0.00 0.00 0.00 175.10 175.08 1wz0 s GLN 38 N 1.38 3.17 -0.21 2.72 -0.21 -1.26 0.07 119.66 125.32 1wz0 s GLN 38 Ca -0.00 -0.36 -0.09 0.00 0.02 0.00 0.00 55.36 54.93 1wz0 s GLN 38 Cb -0.13 -2.54 0.09 0.00 1.00 0.00 0.00 33.01 31.42 1wz0 s GLN 38 CO -0.05 -0.23 0.47 -0.06 -2.12 0.00 0.00 175.29 173.30 1wz0 s PHE 39 N -2.56 -0.85 -0.39 0.91 0.40 -1.06 -4.95 117.98 109.48 1wz0 s PHE 39 Ca 0.47 1.63 -0.12 0.00 -0.60 0.00 0.00 56.93 58.31 1wz0 s PHE 39 Cb -0.10 0.39 0.03 0.00 0.51 0.00 0.00 43.02 43.85 1wz0 s PHE 39 CO 0.39 -0.48 0.24 0.21 0.70 0.00 0.00 175.22 176.28 1wz0 s LYS 40 N 2.27 2.83 0.38 0.44 2.20 -1.26 -2.55 119.74 124.05 1wz0 s LYS 40 Ca -0.05 -1.12 0.05 0.00 -0.36 0.00 0.00 55.97 54.49 1wz0 s LYS 40 Cb -0.10 -3.80 -0.03 0.00 -1.51 0.00 0.00 37.83 32.39 1wz0 s LYS 40 CO -0.14 -0.75 0.18 0.96 -0.36 0.00 0.00 175.35 175.24 1wz0 s ILE 41 N 1.57 0.38 0.57 5.43 -4.36 -1.07 -4.96 121.20 118.76 1wz0 s ILE 41 Ca 0.03 -2.00 -0.01 0.00 -0.26 0.00 0.00 60.65 58.40 1wz0 s ILE 41 Cb -0.20 -2.38 0.03 0.00 1.25 0.00 0.00 42.46 41.16 1wz0 s ILE 41 CO 0.07 0.00 0.83 -0.54 0.24 0.00 0.00 174.94 175.54 1wz0 s LYS 42 N -3.63 2.58 0.12 0.37 1.02 -1.26 -1.50 119.74 117.43 1wz0 s LYS 42 Ca 0.29 -0.54 -0.02 0.00 0.02 0.00 0.00 55.97 55.72 1wz0 s LYS 42 Cb 0.02 -2.40 -0.14 0.00 -0.52 0.00 0.00 37.83 34.79 1wz0 s LYS 42 CO 0.19 -0.77 1.27 0.00 -0.92 0.00 0.00 175.35 175.11 1wz0 h ARG 43 N -0.06 0.28 -1.07 1.68 2.47 -1.95 -3.25 114.38 112.48 1wz0 h ARG 43 Ca -0.44 -0.37 -0.59 0.00 -1.26 0.00 0.00 59.98 57.32 1wz0 h ARG 43 Cb 1.29 0.12 -0.27 0.00 -1.65 0.00 0.00 29.97 29.46 1wz0 h ARG 43 CO 0.56 1.10 0.76 -2.39 0.56 0.00 0.00 179.97 180.56 1wz0 n HIS 44 N -3.63 2.93 -4.80 3.04 1.44 -1.26 -2.40 115.22 110.54 1wz0 n HIS 44 Ca -0.06 -2.64 -0.26 0.00 -2.01 0.00 0.00 57.72 52.75 1wz0 n HIS 44 Cb 0.90 -1.28 -0.16 0.00 0.12 0.00 0.00 29.99 29.57 1wz0 n HIS 44 CO 0.00 0.00 0.00 0.99 -2.81 0.00 0.00 176.34 174.52 1wz0 s THR 45 N -4.13 1.39 0.10 0.61 2.01 -1.23 -5.07 115.64 109.32 1wz0 s THR 45 Ca 0.58 -0.69 -0.31 0.00 0.31 0.00 0.00 61.69 61.58 1wz0 s THR 45 Cb 0.46 -1.20 -0.08 0.00 0.01 0.00 0.00 72.50 71.69 1wz0 s THR 45 CO 0.01 0.40 1.37 -2.16 -0.69 0.00 0.00 174.62 173.55 1wz0 s PRO 46 N 0.11 4.33 0.43 4.92 0.04 -1.26 -3.87 135.00 139.70 1wz0 s PRO 46 Ca -0.05 2.03 0.17 0.00 0.04 0.00 0.00 61.00 63.19 1wz0 s PRO 46 Cb -0.12 -3.27 0.95 0.00 0.04 0.00 0.00 34.50 32.10 1wz0 s PRO 46 CO 0.02 -0.42 1.46 -0.07 0.04 0.00 0.00 177.00 178.04 1wz0 h LEU 47 N 6.86 0.00 -0.82 -3.56 3.38 -1.32 -2.75 115.31 117.09 1wz0 h LEU 47 Ca -0.42 0.00 0.33 0.00 0.09 0.00 0.00 57.88 57.88 1wz0 h LEU 47 Cb 1.21 0.00 -0.15 0.00 0.09 0.00 0.00 40.66 41.81 1wz0 h LEU 47 CO 0.86 0.00 0.39 -1.54 0.09 0.00 0.00 178.44 178.24 1wz0 n SER 48 N -2.30 0.24 0.05 -0.43 3.41 -1.05 0.20 113.62 113.74 1wz0 n SER 48 Ca -0.01 1.37 -0.20 0.00 -0.26 0.00 0.00 58.87 59.76 1wz0 n SER 48 Cb 0.36 -0.65 -0.12 0.00 -0.26 0.00 0.00 64.21 63.54 1wz0 n SER 48 CO 0.00 0.00 0.00 0.11 -0.16 0.00 0.00 175.04 174.99 1wz0 h LYS 49 N 0.00 0.55 0.30 4.33 6.56 -1.83 -2.68 116.57 123.81 1wz0 h LYS 49 Ca 0.67 -0.68 -0.01 0.00 -1.06 0.00 0.00 60.65 59.57 1wz0 h LYS 49 Cb 1.75 0.21 -0.01 0.00 -0.57 0.00 0.00 32.23 33.61 1wz0 h LYS 49 CO -0.65 1.28 -0.19 1.25 -2.06 0.00 0.00 179.45 179.09 1wz0 h LEU 50 N 0.13 -0.47 0.39 2.94 5.85 0.21 0.05 115.31 124.41 1wz0 h LEU 50 Ca -0.14 0.03 -0.01 0.00 0.84 0.00 0.00 57.88 58.59 1wz0 h LEU 50 Cb 1.68 0.14 -0.00 0.00 0.37 0.00 0.00 40.66 42.85 1wz0 h LEU 50 CO 0.19 -0.30 -0.23 0.24 -0.34 0.00 0.00 178.44 178.00 1wz0 h MET 51 N -0.47 -0.57 -0.73 1.25 0.00 -0.84 -1.79 114.93 111.77 1wz0 h MET 51 Ca -0.03 0.04 0.14 0.00 0.00 0.00 0.00 59.70 59.85 1wz0 h MET 51 Cb 0.39 0.13 -0.10 0.00 0.00 0.00 0.00 31.60 32.02 1wz0 h MET 51 CO 0.03 -0.38 0.26 0.87 0.00 0.00 0.00 176.91 177.68 1wz0 h LYS 52 N -0.59 0.37 0.00 1.72 1.57 -1.42 0.47 116.57 118.70 1wz0 h LYS 52 Ca -0.04 -0.02 -0.02 0.00 -1.87 0.00 0.00 60.65 58.70 1wz0 h LYS 52 Cb 0.48 -0.08 -0.00 0.00 0.08 0.00 0.00 32.23 32.71 1wz0 h LYS 52 CO 0.05 0.25 -0.07 0.00 -0.57 0.00 0.00 179.45 179.10 1wz0 h ALA 53 N 1.55 1.18 0.10 3.86 0.00 -0.69 -0.50 119.26 124.76 1wz0 h ALA 53 Ca 0.40 -0.07 -0.13 0.00 0.00 0.00 0.00 54.91 55.12 1wz0 h ALA 53 Cb 0.63 -0.01 0.02 0.00 0.00 0.00 0.00 17.79 18.42 1wz0 h ALA 53 CO -0.43 0.09 -0.58 -0.92 0.00 0.00 0.00 179.25 177.42 1wz0 h TYR 54 N 0.00 0.38 -0.35 0.00 3.20 0.75 -2.42 116.97 118.53 1wz0 h TYR 54 Ca -0.00 -0.28 -0.13 0.00 3.14 0.00 0.00 58.73 61.46 1wz0 h TYR 54 Cb 0.30 -0.02 -0.01 0.00 1.54 0.00 0.00 36.73 38.54 1wz0 h TYR 54 CO 0.00 1.22 -0.29 0.00 -1.64 0.00 0.00 178.16 177.45 1wz0 h GLU 56 N 0.64 0.43 -0.87 0.00 4.11 -1.21 0.54 114.58 118.22 1wz0 h GLU 56 Ca 0.08 -0.22 0.17 0.00 0.07 0.00 0.00 59.36 59.46 1wz0 h GLU 56 Cb 0.81 0.00 -0.16 0.00 0.50 0.00 0.00 28.75 29.90 1wz0 h GLU 56 CO 0.07 0.77 -0.23 -0.09 0.07 0.00 0.00 179.01 179.60 1wz0 h ARG 57 N 0.09 -0.01 0.07 1.06 2.43 -1.40 -2.39 114.38 114.24 1wz0 h ARG 57 Ca 0.03 0.00 -0.26 0.00 -0.81 0.00 0.00 59.98 58.94 1wz0 h ARG 57 Cb 0.68 0.00 -0.02 0.00 -0.42 0.00 0.00 29.97 30.22 1wz0 h ARG 57 CO 0.04 -0.00 -1.40 1.96 -1.51 0.00 0.00 179.97 179.05 1wz0 h GLN 58 N -0.01 0.16 0.00 0.20 1.08 -1.58 -3.49 115.11 111.46 1wz0 h GLN 58 Ca 0.41 -0.27 0.00 0.00 -1.45 0.00 0.00 58.65 57.34 1wz0 h GLN 58 Cb 0.63 0.10 0.00 0.00 -0.05 0.00 0.00 27.48 28.16 1wz0 h GLN 58 CO -0.89 1.13 0.00 0.41 -0.95 0.00 0.00 178.83 178.53 1wz0 n GLY 59 N 1.69 1.70 4.02 3.46 0.00 0.18 -5.07 105.19 111.16 1wz0 n GLY 59 Ca -0.28 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.56 1wz0 n GLY 59 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1wz0 s LEU 60 N 0.00 3.41 0.05 0.99 1.43 -0.39 -5.00 118.68 119.16 1wz0 s LEU 60 Ca 0.00 -0.62 -0.20 0.00 -1.03 0.00 0.00 54.13 52.28 1wz0 s LEU 60 Cb 0.00 -2.20 -0.06 0.00 0.03 0.00 0.00 46.19 43.96 1wz0 s LEU 60 CO 0.00 -1.01 0.60 -0.44 0.23 0.00 0.00 176.35 175.73 1wz0 s SER 61 N -4.48 7.05 0.59 2.29 0.01 -1.26 -4.67 113.70 113.23 1wz0 s SER 61 Ca 0.57 1.25 0.30 0.00 1.31 0.00 0.00 55.95 59.39 1wz0 s SER 61 Cb -0.08 -2.37 1.81 0.00 0.21 0.00 0.00 66.02 65.58 1wz0 s SER 61 CO 0.35 0.19 2.24 -0.03 0.41 0.00 0.00 173.24 176.40 1wz0 h MET 62 N 5.03 0.00 0.00 12.44 4.05 -1.95 -0.44 114.93 134.06 1wz0 h MET 62 Ca -0.47 0.00 -0.11 0.00 -0.28 0.00 0.00 59.70 58.84 1wz0 h MET 62 Cb 1.21 0.00 -0.02 0.00 -0.80 0.00 0.00 31.60 31.99 1wz0 h MET 62 CO 0.66 0.02 -0.66 0.07 0.23 0.00 0.00 176.91 177.23 1wz0 h ARG 63 N 0.00 0.00 0.04 0.39 0.11 -2.03 -3.32 114.38 109.57 1wz0 h ARG 63 Ca -0.00 0.00 -0.24 0.00 0.10 0.00 0.00 59.98 59.84 1wz0 h ARG 63 Cb 0.06 0.00 0.02 0.00 1.11 0.00 0.00 29.97 31.16 1wz0 h ARG 63 CO 0.00 0.44 -0.94 0.37 0.10 0.00 0.00 179.97 179.94 1wz0 h GLN 64 N 0.00 0.57 -6.20 0.08 4.15 -1.49 -3.46 115.11 108.77 1wz0 h GLN 64 Ca -0.03 -0.67 -0.49 0.00 0.77 0.00 0.00 58.65 58.23 1wz0 h GLN 64 Cb 1.40 0.20 -0.03 0.00 0.21 0.00 0.00 27.48 29.25 1wz0 h GLN 64 CO 0.06 1.27 -0.49 0.96 -1.93 0.00 0.00 178.83 178.70 1wz0 s ILE 65 N -3.15 4.59 0.17 2.39 -5.25 -0.90 -4.63 121.20 114.41 1wz0 s ILE 65 Ca -0.11 -1.27 -0.01 0.00 -0.99 0.00 0.00 60.65 58.26 1wz0 s ILE 65 Cb 0.05 -3.51 -0.04 0.00 2.95 0.00 0.00 42.46 41.91 1wz0 s ILE 65 CO 0.89 -0.32 0.11 -0.13 -1.79 0.00 0.00 174.94 173.69 1wz0 s ARG 66 N -3.91 1.09 0.17 0.37 1.81 -1.25 -4.78 118.95 112.45 1wz0 s ARG 66 Ca 0.34 -1.53 0.10 0.00 -1.72 0.00 0.00 55.73 52.92 1wz0 s ARG 66 Cb -0.08 0.26 -0.04 0.00 -0.45 0.00 0.00 34.95 34.64 1wz0 s ARG 66 CO 0.26 -0.34 -0.21 -0.06 -0.68 0.00 0.00 175.30 174.28 1wz0 s PHE 67 N -4.11 2.00 0.08 -0.53 0.40 -1.26 -2.95 117.98 111.62 1wz0 s PHE 67 Ca 0.32 -0.42 -0.15 0.00 -0.60 0.00 0.00 56.93 56.08 1wz0 s PHE 67 Cb 0.07 -1.00 0.03 0.00 0.51 0.00 0.00 43.02 42.62 1wz0 s PHE 67 CO 0.07 0.39 0.34 1.03 0.70 0.00 0.00 175.22 177.75 1wz0 s ARG 68 N -2.69 0.93 -0.11 0.44 0.52 0.59 -3.36 118.95 115.27 1wz0 s ARG 68 Ca 0.17 -0.63 -0.04 0.00 -0.52 0.00 0.00 55.73 54.71 1wz0 s ARG 68 Cb -0.07 0.40 0.06 0.00 0.52 0.00 0.00 34.95 35.86 1wz0 s ARG 68 CO 0.08 -0.33 0.22 0.12 0.02 0.00 0.00 175.30 175.41 1wz0 s PHE 69 N -3.22 -0.32 -1.66 -0.53 5.36 0.93 -2.07 117.98 116.48 1wz0 s PHE 69 Ca -0.00 0.81 -0.00 0.00 -0.96 0.00 0.00 56.93 56.78 1wz0 s PHE 69 Cb 0.01 -0.10 0.00 0.00 -0.34 0.00 0.00 43.02 42.59 1wz0 s PHE 69 CO -0.08 -0.31 0.03 -3.47 -1.46 0.00 0.00 175.22 169.94 1wz0 n ASP 70 N 5.17 -5.61 -0.46 6.13 2.03 -1.26 -1.55 116.55 121.01 1wz0 n ASP 70 Ca -0.09 0.00 -0.02 0.00 0.52 0.00 0.00 54.79 55.20 1wz0 n ASP 70 Cb 0.50 -4.67 0.00 0.00 -0.72 0.00 0.00 41.12 36.23 1wz0 n ASP 70 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1wz0 n GLY 71 N -1.01 0.45 2.98 0.27 0.00 -1.26 -5.06 105.19 101.56 1wz0 n GLY 71 Ca -0.22 -0.72 -0.12 0.00 0.00 0.00 0.00 46.02 44.96 1wz0 n GLY 71 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1wz0 s GLN 72 N -4.46 0.16 -0.14 1.61 -0.21 -0.59 -5.12 119.66 110.90 1wz0 s GLN 72 Ca 0.02 -0.02 -0.29 0.00 0.02 0.00 0.00 55.36 55.09 1wz0 s GLN 72 Cb -0.01 0.07 -0.04 0.00 1.00 0.00 0.00 33.01 34.04 1wz0 s GLN 72 CO 0.03 -0.03 1.56 -1.25 -2.12 0.00 0.00 175.29 173.48 1wz0 s PRO 73 N -0.27 4.04 0.01 2.91 0.04 -1.26 -0.05 135.00 140.42 1wz0 s PRO 73 Ca -0.03 1.87 -0.02 0.00 0.04 0.00 0.00 61.00 62.86 1wz0 s PRO 73 Cb -0.02 -3.96 -0.04 0.00 0.04 0.00 0.00 34.50 30.52 1wz0 s PRO 73 CO 0.00 -0.99 0.19 0.96 0.04 0.00 0.00 177.00 177.20 1wz0 s ILE 74 N 4.38 5.40 0.18 0.56 -4.36 -1.21 -4.93 121.20 121.21 1wz0 s ILE 74 Ca 0.69 -0.24 0.07 0.00 -0.26 0.00 0.00 60.65 60.91 1wz0 s ILE 74 Cb -0.28 -3.56 -0.04 0.00 1.25 0.00 0.00 42.46 39.84 1wz0 s ILE 74 CO 0.26 0.27 0.00 0.20 0.24 0.00 0.00 174.94 175.91 1wz0 s ASN 75 N -2.11 4.77 0.24 4.36 0.01 -1.26 -4.73 114.94 116.23 1wz0 s ASN 75 Ca 0.29 -0.40 -0.06 0.00 -0.71 0.00 0.00 52.86 51.98 1wz0 s ASN 75 Cb -0.13 -1.01 0.24 0.00 0.41 0.00 0.00 41.25 40.76 1wz0 s ASN 75 CO 0.21 0.09 1.85 1.05 -1.51 0.00 0.00 177.10 178.79 1wz0 h GLU 76 N 2.67 1.19 0.00 -0.60 4.11 -1.97 -2.02 114.58 117.96 1wz0 h GLU 76 Ca -0.47 -0.16 -0.00 0.00 0.07 0.00 0.00 59.36 58.80 1wz0 h GLU 76 Cb 1.20 -0.22 -0.00 0.00 0.50 0.00 0.00 28.75 30.23 1wz0 h GLU 76 CO 0.58 0.90 -0.02 1.79 0.07 0.00 0.00 179.01 182.33 1wz0 h THR 77 N 1.19 0.97 -4.28 -1.06 1.35 -1.95 -2.74 112.91 106.38 1wz0 h THR 77 Ca 0.29 -0.06 -0.51 0.00 -0.55 0.00 0.00 66.41 65.59 1wz0 h THR 77 Cb 0.08 1.03 0.11 0.00 -1.73 0.00 0.00 68.15 67.64 1wz0 h THR 77 CO -0.04 0.02 0.35 -1.81 -0.25 0.00 0.00 175.52 173.78 1wz0 s ASP 78 N -6.98 4.99 0.27 5.36 1.11 -0.76 -4.82 116.67 115.84 1wz0 s ASP 78 Ca -0.05 1.80 0.10 0.00 0.18 0.00 0.00 52.55 54.59 1wz0 s ASP 78 Cb 0.17 -2.52 -0.04 0.00 1.07 0.00 0.00 42.92 41.59 1wz0 s ASP 78 CO 0.66 -1.71 -0.05 0.42 1.18 0.00 0.00 175.17 175.67 1wz0 s THR 79 N -2.78 3.20 -0.15 -1.27 -4.23 -1.26 -2.52 115.64 106.64 1wz0 s THR 79 Ca 0.62 -2.03 0.29 0.00 -1.18 0.00 0.00 61.69 59.39 1wz0 s THR 79 Cb -0.17 -2.70 0.33 0.00 1.34 0.00 0.00 72.50 71.29 1wz0 s THR 79 CO 0.51 -0.37 1.87 1.55 -0.54 0.00 0.00 174.62 177.63 1wz0 h PRO 80 N 2.01 0.00 0.00 3.99 0.13 -1.68 -2.69 132.00 133.75 1wz0 h PRO 80 Ca -0.43 0.00 -0.14 0.00 -0.87 0.00 0.00 66.00 64.55 1wz0 h PRO 80 Cb 1.25 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.36 1wz0 h PRO 80 CO 0.60 0.00 -0.86 0.00 -0.23 0.00 0.00 178.00 177.51 1wz0 h ALA 81 N 2.12 0.62 -0.03 -0.56 0.00 -1.80 0.23 119.26 119.84 1wz0 h ALA 81 Ca 0.00 -0.66 -0.15 0.00 0.00 0.00 0.00 54.91 54.10 1wz0 h ALA 81 Cb 0.42 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.22 1wz0 h ALA 81 CO 0.00 0.82 -0.66 0.37 0.00 0.00 0.00 179.25 179.78 1wz0 h GLN 82 N 0.00 0.14 -0.61 0.00 4.15 -1.76 -2.98 115.11 114.06 1wz0 h GLN 82 Ca -0.06 -0.11 0.00 0.00 0.77 0.00 0.00 58.65 59.25 1wz0 h GLN 82 Cb 1.51 0.02 0.00 0.00 0.21 0.00 0.00 27.48 29.22 1wz0 h GLN 82 CO 0.07 0.75 0.00 1.28 -1.93 0.00 0.00 178.83 179.00 1wz0 n LEU 83 N -3.80 5.46 -4.19 -2.39 4.77 -1.22 -4.92 117.00 110.71 1wz0 n LEU 83 Ca -0.02 -2.77 -0.35 0.00 -0.03 0.00 0.00 56.01 52.83 1wz0 n LEU 83 Cb 0.65 -0.67 -0.02 0.00 -2.33 0.00 0.00 43.42 41.05 1wz0 n LEU 83 CO 0.44 0.62 -0.03 -0.62 -1.33 0.00 0.00 177.39 176.47 1wz0 n GLU 84 N 0.62 -3.30 -1.63 3.23 1.02 -1.13 -4.77 120.64 114.69 1wz0 n GLU 84 Ca 0.26 0.39 -0.36 0.00 -0.02 0.00 0.00 57.16 57.43 1wz0 n GLU 84 Cb 1.14 -5.08 -0.03 0.00 -0.02 0.00 0.00 31.44 27.44 1wz0 n GLU 84 CO 0.00 0.00 0.00 -1.64 1.18 0.00 0.00 177.13 176.67 1wz0 s MET 85 N -6.90 2.15 0.84 3.49 -1.94 0.79 -4.94 119.30 112.80 1wz0 s MET 85 Ca 0.69 1.25 -0.12 0.00 -1.71 0.00 0.00 55.69 55.81 1wz0 s MET 85 Cb -0.38 -4.57 0.10 0.00 2.01 0.00 0.00 34.83 31.99 1wz0 s MET 85 CO 0.92 -3.25 1.11 -1.21 -0.01 0.00 0.00 175.02 172.58 1wz0 s GLU 86 N 8.12 1.72 0.95 2.03 2.02 -1.26 -4.87 118.70 127.41 1wz0 s GLU 86 Ca 0.93 0.52 -0.12 0.00 0.02 0.00 0.00 54.97 56.33 1wz0 s GLU 86 Cb -0.16 -1.89 0.16 0.00 0.10 0.00 0.00 34.13 32.34 1wz0 s GLU 86 CO 0.24 -1.85 1.09 0.16 0.02 0.00 0.00 175.26 174.92 1wz0 s ASP 87 N -3.93 2.93 -0.95 -0.19 1.47 -1.26 -3.23 116.67 111.50 1wz0 s ASP 87 Ca 0.62 1.54 0.00 0.00 1.18 0.00 0.00 52.55 55.89 1wz0 s ASP 87 Cb -0.15 -2.21 0.00 0.00 -0.34 0.00 0.00 42.92 40.23 1wz0 s ASP 87 CO 0.54 -2.99 0.00 -0.62 0.68 0.00 0.00 175.17 172.78 1wz0 n GLU 88 N -4.12 -2.18 -0.88 2.11 1.02 -1.03 -4.93 120.64 110.63 1wz0 n GLU 88 Ca 0.07 0.54 -0.17 0.00 -0.02 0.00 0.00 57.16 57.57 1wz0 n GLU 88 Cb 0.55 -5.07 0.13 0.00 -0.02 0.00 0.00 31.44 27.03 1wz0 n GLU 88 CO 0.00 0.00 0.00 -0.25 1.18 0.00 0.00 177.13 178.06 1wz0 n ASP 89 N -1.56 -0.73 -3.71 1.62 9.92 -1.05 -4.83 116.55 116.22 1wz0 n ASP 89 Ca -0.13 -1.10 -0.13 0.00 -0.53 0.00 0.00 54.79 52.91 1wz0 n ASP 89 Cb 0.56 -0.59 -0.13 0.00 -0.64 0.00 0.00 41.12 40.32 1wz0 n ASP 89 CO 0.00 0.00 0.00 -0.89 0.13 0.00 0.00 177.20 176.44 1wz0 s THR 90 N -2.46 -0.16 0.16 -3.53 2.01 -1.26 -0.35 115.64 110.06 1wz0 s THR 90 Ca 0.43 0.18 0.00 0.00 0.31 0.00 0.00 61.69 62.62 1wz0 s THR 90 Cb -0.02 -0.42 -0.04 0.00 0.01 0.00 0.00 72.50 72.03 1wz0 s THR 90 CO 0.31 0.08 0.33 -0.63 -0.69 0.00 0.00 174.62 174.02 1wz0 s ILE 91 N 1.63 5.27 -0.21 1.82 1.01 0.22 -4.79 121.20 126.15 1wz0 s ILE 91 Ca -0.06 -0.45 -0.03 0.00 0.00 0.00 0.00 60.65 60.10 1wz0 s ILE 91 Cb -0.11 -3.72 -0.01 0.00 0.01 0.00 0.00 42.46 38.64 1wz0 s ILE 91 CO -0.09 -0.09 -0.06 -0.62 0.00 0.00 0.00 174.94 174.08 1wz0 s ASP 92 N -3.06 4.23 0.06 3.58 -1.08 -0.88 -1.52 116.67 118.00 1wz0 s ASP 92 Ca 0.37 -0.40 0.03 0.00 -0.52 0.00 0.00 52.55 52.03 1wz0 s ASP 92 Cb -0.11 -1.72 -0.03 0.00 -1.46 0.00 0.00 42.92 39.60 1wz0 s ASP 92 CO 0.28 -0.00 -0.08 -0.69 0.52 0.00 0.00 175.17 175.19 1wz0 s VAL 93 N 1.38 0.65 -0.31 1.11 1.01 -1.16 -0.30 120.40 122.78 1wz0 s VAL 93 Ca 0.05 -1.25 -0.02 0.00 0.00 0.00 0.00 61.98 60.75 1wz0 s VAL 93 Cb -0.14 -0.85 0.05 0.00 0.00 0.00 0.00 36.38 35.44 1wz0 s VAL 93 CO -0.03 -0.44 0.02 -0.36 0.00 0.00 0.00 175.10 174.28 1wz0 s PHE 94 N -1.74 3.28 -0.50 5.22 0.40 -1.15 -3.82 117.98 119.68 1wz0 s PHE 94 Ca -0.05 -1.88 -0.17 0.00 -0.60 0.00 0.00 56.93 54.23 1wz0 s PHE 94 Cb -0.08 -2.18 0.07 0.00 0.51 0.00 0.00 43.02 41.35 1wz0 s PHE 94 CO -0.00 -0.81 0.53 -0.65 0.70 0.00 0.00 175.22 174.99 1wz0 s GLN 95 N 1.26 3.05 0.16 0.44 -0.21 -1.26 -3.87 119.66 119.23 1wz0 s GLN 95 Ca -0.04 -1.15 -0.30 0.00 0.02 0.00 0.00 55.36 53.89 1wz0 s GLN 95 Cb -0.20 -4.13 -0.07 0.00 1.00 0.00 0.00 33.01 29.61 1wz0 s GLN 95 CO -0.01 -1.16 1.17 -1.14 -2.12 0.00 0.00 175.29 172.03 1wz0 s GLN 96 N 2.16 4.51 -0.22 2.91 2.00 -1.26 -4.73 119.66 125.04 1wz0 s GLN 96 Ca 0.10 1.81 -0.28 0.00 -2.00 0.00 0.00 55.36 54.98 1wz0 s GLN 96 Cb -0.22 -3.27 -0.05 0.00 0.80 0.00 0.00 33.01 30.27 1wz0 s GLN 96 CO 0.09 -0.07 2.22 1.04 -0.50 0.00 0.00 175.29 178.08 1wz0 n GLN 97 N 2.71 1.94 -0.94 1.67 6.02 -1.26 -4.94 117.38 122.58 1wz0 n GLN 97 Ca 0.05 0.53 -0.31 0.00 -0.01 0.00 0.00 57.00 57.25 1wz0 n GLN 97 Cb 0.45 -3.22 0.14 0.00 1.02 0.00 0.00 30.24 28.63 1wz0 n GLN 97 CO 0.00 0.00 0.00 -0.08 -1.01 0.00 0.00 177.06 175.97 1wz0 s THR 98 N 8.30 2.50 -0.04 5.09 -1.32 -1.26 -5.04 115.64 123.87 1wz0 s THR 98 Ca 1.01 0.17 0.04 0.00 -1.21 0.00 0.00 61.69 61.70 1wz0 s THR 98 Cb -0.35 -2.38 -0.03 0.00 -1.51 0.00 0.00 72.50 68.23 1wz0 s THR 98 CO 0.36 -0.21 -0.16 -0.94 -2.21 0.00 0.00 174.62 171.46 1wz0 s SER 99 N -2.87 3.90 0.00 8.08 1.04 -1.26 -5.06 113.70 117.53 1wz0 s SER 99 Ca 0.65 -0.24 0.00 0.00 0.48 0.00 0.00 55.95 56.85 1wz0 s SER 99 Cb -0.21 -0.77 0.00 0.00 0.10 0.00 0.00 66.02 65.13 1wz0 s SER 99 CO 0.56 0.34 0.00 0.61 0.98 0.00 0.00 173.24 175.73 1wz0 n GLY 100 N 2.29 2.43 3.75 7.32 0.00 -1.26 -5.05 105.19 114.68 1wz0 n GLY 100 Ca -0.17 -2.13 -0.41 0.00 0.00 0.00 0.00 46.02 43.31 1wz0 n GLY 100 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1wz0 s PRO 101 N -2.02 4.43 0.11 1.61 0.04 -1.26 -5.01 135.00 132.91 1wz0 s PRO 101 Ca 0.00 2.05 -0.25 0.00 0.04 0.00 0.00 61.00 62.84 1wz0 s PRO 101 Cb 0.00 -3.16 0.08 0.00 0.04 0.00 0.00 34.50 31.47 1wz0 s PRO 101 CO 0.00 -0.13 1.11 -1.54 0.04 0.00 0.00 177.00 176.48 1wz0 s SER 102 N -0.17 -0.03 0.07 6.66 1.04 -1.26 -5.11 113.70 114.91 1wz0 s SER 102 Ca 0.52 -0.47 -0.01 0.00 0.48 0.00 0.00 55.95 56.46 1wz0 s SER 102 Cb -0.36 0.38 -0.00 0.00 0.10 0.00 0.00 66.02 66.13 1wz0 s SER 102 CO 0.43 -0.74 -0.02 -1.20 0.98 0.00 0.00 173.24 172.69 1wz0 n SER 103 N -1.01 0.97 0.00 7.02 7.64 -1.26 -5.27 113.62 121.71 1wz0 n SER 103 Ca -0.03 0.13 0.00 0.00 1.01 0.00 0.00 58.87 59.98 1wz0 n SER 103 Cb 0.60 -0.31 0.00 0.00 -1.01 0.00 0.00 64.21 63.49 1wz0 n SER 103 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64